GD125880

Name:

[3,4,5-tris(acetyloxy)-6-[3,5-bis(acetyloxy)-4-benzoyl-2-methyl-6-[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]phenoxy]oxan-2-yl]methyl acetate

Formula:

C46H52O24

Smiles:

CC(=O)OCC1OC(Oc2c(C)c(OC(C)=O)c(C(=O)c3ccccc3)c(OC(C)=O)c2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)Oc1cc(O)c(C)c(OC(C)=O)c1C(=O)c1ccccc1.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1OOC(O)C(OC(C)=O)C1OC(C)=O.CO

Other Identifiers

• CNP0133354

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD50910

Formula: C18H16O6

Smiles:

CC(=O)Oc1cc(O)c(C)c(OC(C)=O)c1C(=O)c1ccccc1

HBA:	6	RingCount:	2
HBD:	1	FractionCSP3:	0.17
AlogP:	2.78	Num_rotatable_bonds:	4
MolWt:	328.32	Num_heavy_atoms:	24
TPSA:	89.9	NumAromaticRings:	2